%chk=000215140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215140

0 1
O 2.151034 1.327943 -0.086380
O 1.849024 -0.308302 1.446567
N 5.820188 0.755033 0.100815
C 0.019259 0.349730 -0.083019
C -1.028787 0.554603 1.030388
C -2.433230 0.748641 0.449351
C -3.474698 0.939128 1.562873
C -0.193870 -0.949407 -0.828061
C 1.405863 0.362565 0.544359
C 4.407198 0.421991 -0.258862
C 3.533817 1.531123 0.342613
C -4.845377 1.144500 0.976304
C 6.773010 0.437816 -1.013315
C 6.220382 0.078485 1.381136
C 0.070364 -2.182002 -0.211702
C -0.679697 -0.919099 -2.143361
C -5.331219 2.441188 0.748843
C -5.644192 0.038685 0.645341
C -0.151716 -3.372626 -0.906769
C -0.901397 -2.114488 -2.833551
C 6.605139 1.445901 -2.150996
C 7.415912 0.804166 1.999677
C -0.639048 -3.341926 -2.217814
C -6.603333 2.627374 0.201049
C -6.915028 0.230519 0.097679
C -7.398132 1.524102 -0.125118
H -0.044829 1.212255 -0.802739
H -1.014466 -0.314891 1.719683
H -0.748640 1.432989 1.645528
H -2.451370 1.621910 -0.231722
H -2.710126 -0.125440 -0.175719
H -3.193642 1.798247 2.205075
H -3.473395 0.059441 2.238936
H 4.068981 -0.571138 0.110389
H 4.266507 0.401680 -1.361575
H 3.755542 2.527335 -0.079680
H 3.570798 1.556680 1.444023
H 6.657233 -0.598591 -1.397219
H 7.808616 0.513931 -0.609826
H 6.453965 -0.999246 1.243344
H 5.360434 0.125661 2.087556
H 0.459640 -2.206615 0.809436
H -0.886542 0.031779 -2.631209
H -4.717735 3.304160 0.998198
H -5.272701 -0.970073 0.813841
H 0.056022 -4.327098 -0.425205
H -1.279630 -2.087345 -3.854270
H 7.390165 1.323206 -2.903744
H 6.658594 2.475399 -1.771285
H 5.637133 1.342267 -2.654291
H 8.327538 0.676599 1.405311
H 7.226697 1.884425 2.065238
H 7.618064 0.435508 3.010439
H -0.812423 -4.270980 -2.757007
H -6.976024 3.635547 0.028158
H -7.530970 -0.630551 -0.156212
H -8.388106 1.671107 -0.550300


%chk=000215140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215140

0 1
O 2.205392 1.522987 -0.350258
O 1.805516 0.186237 1.521055
N 5.862707 0.594930 -0.027946
C -0.006918 0.595535 -0.122868
C -1.064066 0.800256 1.003169
C -2.508578 0.848763 0.464453
C -3.551447 1.044247 1.600078
C -0.150321 -0.763425 -0.825110
C 1.400851 0.721145 0.460554
C 4.472980 0.502177 -0.532744
C 3.639439 1.654542 0.059115
C -4.977500 1.110433 1.072781
C 6.900065 0.291338 -1.047427
C 6.054675 -0.127399 1.260418
C 0.060888 -1.973957 -0.114529
C -0.515320 -0.826850 -2.192509
C -5.599863 2.356875 0.804297
C -5.702802 -0.077792 0.794835
C -0.097806 -3.219568 -0.760267
C -0.677011 -2.073586 -2.839464
C 7.064261 1.416994 -2.086324
C 7.177884 0.473958 2.126206
C -0.469579 -3.275133 -2.124389
C -6.907761 2.417624 0.271143
C -7.010329 -0.023528 0.262574
C -7.618275 1.226070 -0.002418
H -0.121218 1.393490 -0.878309
H -0.958175 -0.012543 1.746691
H -0.838567 1.745096 1.538087
H -2.610659 1.677122 -0.265921
H -2.739833 -0.083804 -0.085075
H -3.307559 1.972147 2.154144
H -3.448605 0.206189 2.317907
H 3.992469 -0.469603 -0.275563
H 4.466974 0.584308 -1.633677
H 3.959279 2.625723 -0.346452
H 3.697956 1.658342 1.161158
H 6.692209 -0.677353 -1.568603
H 7.860809 0.160906 -0.517008
H 6.251309 -1.215217 1.086156
H 5.103078 -0.072089 1.821396
H 0.366729 -1.935548 0.937574
H -0.675446 0.102649 -2.752342
H -5.056053 3.285542 1.019738
H -5.239173 -1.050852 1.001654
H 0.071500 -4.147065 -0.201346
H -0.963947 -2.105639 -3.896656
H 7.857815 1.160398 -2.812876
H 7.335010 2.361258 -1.582632
H 6.133274 1.589451 -2.656834
H 8.158939 0.430759 1.619016
H 6.958794 1.532185 2.351786
H 7.268921 -0.081011 3.078611
H -0.593389 -4.242587 -2.623948
H -7.373016 3.390463 0.074269
H -7.556038 -0.951978 0.058138
H -8.633674 1.270187 -0.412306


